DrugBank: Putrescine (DB01917)

targets (3) transporters (1)

Identification

Name

Putrescine

Accession Number

DB01917 (EXPT02702)

Type

small molecule

Groups

experimental

Description

A toxic diamine formed by putrefaction from the decarboxylation of arginine and ornithine. [PubChem]

Structure

Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure

Synonyms

Not Available

Salts

Not Available

Brand names

Not Available

Brand mixtures

Not Available

Categories

Not Available

CAS number

110-60-1

Weight

Average: 88.1515
Monoisotopic: 88.100048394

Chemical Formula

C₄H₁₂N₂

InChI Key

InChIKey=KIDHWZJUCRJVML-UHFFFAOYSA-N

InChI

InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2

Plain Text

IUPAC Name

butane-1,4-diamine

SMILES

NCCCCN

Plain Text

Mass Spec

Not Available

Taxonomy

Kingdom

Not Available

Classes

Not Available

Substructures

Not Available

Pharmacology

Indication

Not Available

Pharmacodynamics

Not Available

Mechanism of action

Not Available

Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism

Not Available

Route of elimination

Not Available

Half life

Not Available

Clearance

Not Available

Toxicity

Not Available

Affected organisms

Not Available

Pathways

Not Available

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage forms

Not Available

Prices

Not Available

Patents

Not Available

Properties

State

solid

Experimental Properties

Property	Value	Source
melting point	27.5 °C	PhysProp
boiling point	158.5 °C	PhysProp
logP	-0.70	SANGSTER (1994)
pKa	10.8 (at 20 °C)	PERRIN,DD (1965)

Predicted Properties

Property	Value	Source
water solubility	2.36e+02 g/l	ALOGPS
logP	-0.98	ALOGPS
logP	-0.85	ChemAxon
logS	0.43	ALOGPS
pKa (strongest basic)	10.51	ChemAxon
physiological charge	2	ChemAxon
hydrogen acceptor count	2	ChemAxon
hydrogen donor count	2	ChemAxon
polar surface area	52.04	ChemAxon
rotatable bond count	3	ChemAxon
refractivity	27.38	ChemAxon
polarizability	11.07	ChemAxon

References

Synthesis Reference

Not Available

General Reference

Not Available

External Links

Resource	Link
KEGG Compound	C00134
PubChem Compound	1045
PubChem Substance	46506728
ChemSpider	13837702
ChEBI	17148
ChEMBL	17148
IUPHAR	2388
Guide to Pharmacology	2388
HET	PUT
Wikipedia	http://en.wikipedia.org/wiki/Putrescine

ATC Codes

Not Available

AHFS Codes

Not Available

PDB Entries

1F3T

FDA label

Not Available

MSDS

Not Available

Interactions

Drug Interactions

Not Available

Food Interactions

Not Available

Targets
1. Ornithine decarboxylase Pharmacological action: unknown Organism class: human UniProt ID: P11926 Gene: ODC1 Protein Sequence: FASTA Gene Sequence: FASTA SNPs: SNPJam Report References: Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed 2. S-adenosylmethionine decarboxylase proenzyme Pharmacological action: unknown Organism class: human UniProt ID: P17707 Gene: AMD1 Protein Sequence: FASTA Gene Sequence: FASTA SNPs: SNPJam Report References: Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed 3. Putrescine-binding periplasmic protein Pharmacological action: unknown Required for the activity of the bacterial periplasmic transport system of putrescine. Polyamine binding protein Organism class: bacterial UniProt ID: P31133 Gene: potF Protein Sequence: FASTA Gene Sequence: FASTA SNPs: SNPJam Report References: Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

Targets

1. Ornithine decarboxylase

Pharmacological action: unknown
Organism class: human
UniProt ID: P11926 Link_out

Gene: ODC1 Link_out

Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed
Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

2. S-adenosylmethionine decarboxylase proenzyme

Pharmacological action: unknown
Organism class: human
UniProt ID: P17707 Link_out

Gene: AMD1 Link_out

Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

3. Putrescine-binding periplasmic protein

Pharmacological action: unknown

Required for the activity of the bacterial periplasmic transport system of putrescine. Polyamine binding protein

Organism class: bacterial
UniProt ID: P31133 Link_out

Gene: potF
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

Transporters
1. Organic cation/carnitine transporter 1 Actions: inhibitor Sodium-ion dependent, low affinity carnitine transporter. Probably transports one sodium ion with one molecule of carnitine. Also transports organic cations such as tetraethylammonium (TEA) without the involvement of sodium. Relative uptake activity ratio of carnitine to TEA is 1.78. A key substrate of this transporter seems to be ergothioneine (ET) UniProt ID: Q9H015 Gene: SLC22A4 Protein Sequence: FASTA Gene Sequence: FASTA SNPs: SNPJam Report References: Yabuuchi H, Tamai I, Nezu J, Sakamoto K, Oku A, Shimane M, Sai Y, Tsuji A: Novel membrane transporter OCTN1 mediates multispecific, bidirectional, and pH-dependent transport of organic cations. J Pharmacol Exp Ther. 1999 May;289(2):768-73. Pubmed

Transporters

1. Organic cation/carnitine transporter 1

Actions: inhibitor

Sodium-ion dependent, low affinity carnitine transporter. Probably transports one sodium ion with one molecule of carnitine. Also transports organic cations such as tetraethylammonium (TEA) without the involvement of sodium. Relative uptake activity ratio of carnitine to TEA is 1.78. A key substrate of this transporter seems to be ergothioneine (ET)

UniProt ID: Q9H015 Link_out

Gene: SLC22A4 Link_out

Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:

Yabuuchi H, Tamai I, Nezu J, Sakamoto K, Oku A, Shimane M, Sai Y, Tsuji A: Novel membrane transporter OCTN1 mediates multispecific, bidirectional, and pH-dependent transport of organic cations. J Pharmacol Exp Ther. 1999 May;289(2):768-73. Pubmed

Comments

Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:20